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4-(benzylsulfanyl)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazole
SpectraBase Compound ID 69ZJs0VXLP1
InChI InChI=1S/C23H19N3O4S/c27-26(28)18-13-19-21(20(14-18)31-15-16-7-3-1-4-8-16)22(23-29-11-12-30-23)24-25(19)17-9-5-2-6-10-17/h1-10,13-14,23H,11-12,15H2
InChIKey BHTFYGXYQHHRQE-UHFFFAOYSA-N
Mol Weight 433.48 g/mol
Molecular Formula C23H19N3O4S
Exact Mass 433.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ewt3gOgs5O
Name 4-(benzylsulfanyl)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N3O4S
InChI InChI=1S/C23H19N3O4S/c27-26(28)18-13-19-21(20(14-18)31-15-16-7-3-1-4-8-16)22(23-29-11-12-30-23)24-25(19)17-9-5-2-6-10-17/h1-10,13-14,23H,11-12,15H2
InChIKey BHTFYGXYQHHRQE-UHFFFAOYSA-N
Molecular Weight 433.482 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)SCc1ccccc1)C1OCCO1
SPLASH splash10-0006-9112000000-425b5663d8a811275004
Synonyms 3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-4-(phenylmethylsulfanyl)indazole 3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-4-(phenylmethylthio)indazole 4-(benzylthio)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazole 4-Benzylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazole
Wiley ID 1464867